ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate

C20H16N4O3S — CID 6153025

IUPACethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncn(/N=C\c3cccc4ncccc34)c(=O)c2c1C
InChIInChI=1S/C20H16N4O3S/c1-3-27-20(26)17-12(2)16-18(28-17)22-11-24(19(16)25)23-10-13-6-4-8-15-14(13)7-5-9-21-15/h4-11H,3H2,1-2H3/b23-10-
InChIKeyOGLAJSSRPLTPRN-RMORIDSASA-N
MW392.44 g/mol
LogP3.37
Rot. Bonds4

About ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 6153025) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID6153025
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Nameethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncn(/N=C\c3cccc4ncccc34)c(=O)c2c1C
InChIInChI=1S/C20H16N4O3S/c1-3-27-20(26)17-12(2)16-18(28-17)22-11-24(19(16)25)23-10-13-6-4-8-15-14(13)7-5-9-21-15/h4-11H,3H2,1-2H3/b23-10-
InChIKeyOGLAJSSRPLTPRN-RMORIDSASA-N
XLogP3.37
TPSA86.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 42992182
ethyl 3-[[4-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 3654800
3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 135770657
ethyl 3-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 8535172
5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6863326
ethyl 5-methyl-4-oxo-3-(1-oxo-1-propan-2-yloxypropan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2791788
ethyl 5-methyl-4-oxo-3-[2-(4-propoxyphenoxy)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 8535164
ethyl 5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 1078234
ethyl 5-methyl-3-[(2R)-1-(2-methylpropoxy)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1167123
ethyl 3-[3-(2,6-dichloroanilino)-3-oxopropyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55482037
ethyl 3-[(6-chloro-3-pyridinyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 38924545
dibromocopper;ethyl 3-bromothieno[2,3-b]pyridine-2-carboxylate
CID 159666446

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate (CID 6153025) is ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncn(/N=C\c3cccc4ncccc34)c(=O)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is OGLAJSSRPLTPRN-RMORIDSASA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-3-27-20(26)17-12(2)16-18(28-17)22-11-24(19(16)25)23-10-13-6-4-8-15-14(13)7-5-9-21-15/h4-11H,3H2,1-2H3/b23-10-.
What are the key properties of ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 392.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-oxo-3-[(Z)-quinolin-5-ylmethylideneamino]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 6153025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).